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	hartrees
Energy at 0K	-263.392956
Energy at 298.15K	-263.394814
HF Energy	-262.948013
Nuclear repulsion energy	143.526390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3676	3421	51.94
2	A'	3544	3298	41.27
3	A'	2321	2160	62.42
4	A'	1845	1717	243.46
5	A'	1446	1346	62.06
6	A'	1176	1095	418.35
7	A'	827	769	32.54
8	A'	804	748	38.33
9	A'	642	598	12.57
10	A'	539	501	27.98
11	A'	199	185	5.04
12	A"	847	788	0.85
13	A"	803	747	98.04
14	A"	614	572	152.90
15	A"	285	265	12.37

Atom	x (Å)	y (Å)
C1	0.000	0.486
C2	-0.250	-0.943
C3	-0.540	-2.107
O4	1.347	0.738
O5	-0.844	1.363
H6	-0.782	-3.140
H7	1.497	1.710

	C1	C2	C3	O4	O5	H6	H7
C1		1.4506	2.6492	1.3705	1.2172	3.7099	1.9340
C2	1.4506		1.2003	2.3187	2.3813	2.2611	3.1768
C3	2.6492	1.2003		3.4145	3.4840	1.0609	4.3274
O4	1.3705	2.3187	3.4145		2.2785	4.4243	0.9838
O5	1.2172	2.3813	3.4840	2.2785		4.5043	2.3666
H6	3.7099	2.2611	1.0609	4.4243	4.5043		5.3594
H7	1.9340	3.1768	4.3274	0.9838	2.3666	5.3594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.945	C1	O4	H7	109.359
C2	C1	O4	110.519	C2	C1	O5	126.181
C2	C3	H6	179.165	O4	C1	O5	123.299

All results from a given calculation for C₃H₂O₂ (Propiolic acid)

using model chemistry: CID/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H2O2 (Propiolic acid)

using model chemistry: CID/3-21G*

States and conformations

All results from a given calculation for C₃H₂O₂ (Propiolic acid)